N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide

C13H14ClFN2O — CID 90349633

IUPACN-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide
SMILESCC1=C(Cl)C(NC(=O)c2ccnc(F)c2)CCC1
InChIInChI=1S/C13H14ClFN2O/c1-8-3-2-4-10(12(8)14)17-13(18)9-5-6-16-11(15)7-9/h5-7,10H,2-4H2,1H3,(H,17,18)
InChIKeyNQVWCCAQFDCCBU-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.02
Rot. Bonds2

About N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide

N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide (PubChem CID 90349633) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide
PubChem CID90349633
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC NameN-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide
SMILESCC1=C(Cl)C(NC(=O)c2ccnc(F)c2)CCC1
InChIInChI=1S/C13H14ClFN2O/c1-8-3-2-4-10(12(8)14)17-13(18)9-5-6-16-11(15)7-9/h5-7,10H,2-4H2,1H3,(H,17,18)
InChIKeyNQVWCCAQFDCCBU-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
CID 61292904
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
CID 123635888
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide (CID 90349633) is N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide is CC1=C(Cl)C(NC(=O)c2ccnc(F)c2)CCC1.
What is the InChIKey of N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide?
The InChIKey is NQVWCCAQFDCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-8-3-2-4-10(12(8)14)17-13(18)9-5-6-16-11(15)7-9/h5-7,10H,2-4H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide?
N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide has a molecular weight of 268.72 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylcyclohex-2-en-1-yl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 90349633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).